General Information of the Compound
| Compound ID |
CP0855976
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| Compound Name |
2-{2-[2-(4-Chloro-phenyl)-acetylamino]-propionylamino}-3-(1H-indol-3-yl)-N-phenethyl-propionamide
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| Structure |
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| Formula |
C30H31ClN4O3
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| Molecular Weight |
531.056
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| Canonical SMILES |
C[C@H](NC(=O)Cc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1
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| InChI |
InChI=1S/C30H31ClN4O3/c1-20(34-28(36)17-22-11-13-24(31)14-12-22)29(37)35-27(18-23-19-33-26-10-6-5-9-25(23)26)30(38)32-16-15-21-7-3-2-4-8-21/h2-14,19-20,27,33H,15-18H2,1H3,(H,32,38)(H,34,36)(H,35,37)/t20-,27-/m0/s1
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| InChIKey |
OZOUGSZITCUGCW-DCFHFQCYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound